(2R)-3-(2-methylpropoxy)but-3-en-2-amine

C8H17NO — CID 130402785

IUPAC(2R)-3-(2-methylpropoxy)but-3-en-2-amine
SMILESC=C(OCC(C)C)[C@@H](C)N
InChIInChI=1S/C8H17NO/c1-6(2)5-10-8(4)7(3)9/h6-7H,4-5,9H2,1-3H3/t7-/m1/s1
InChIKeyXCROZGXLLVEZLP-SSDOTTSWSA-N
MW143.23 g/mol
LogP1.52
Rot. Bonds4

About (2R)-3-(2-methylpropoxy)but-3-en-2-amine

(2R)-3-(2-methylpropoxy)but-3-en-2-amine (PubChem CID 130402785) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2R)-3-(2-methylpropoxy)but-3-en-2-amine.

Molecular Properties

Compound Name(2R)-3-(2-methylpropoxy)but-3-en-2-amine
PubChem CID130402785
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2R)-3-(2-methylpropoxy)but-3-en-2-amine
SMILESC=C(OCC(C)C)[C@@H](C)N
InChIInChI=1S/C8H17NO/c1-6(2)5-10-8(4)7(3)9/h6-7H,4-5,9H2,1-3H3/t7-/m1/s1
InChIKeyXCROZGXLLVEZLP-SSDOTTSWSA-N
XLogP1.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-methylpropoxy)but-3-en-2-amine?
The IUPAC name of (2R)-3-(2-methylpropoxy)but-3-en-2-amine (CID 130402785) is (2R)-3-(2-methylpropoxy)but-3-en-2-amine.
What is the SMILES notation for (2R)-3-(2-methylpropoxy)but-3-en-2-amine?
The canonical SMILES for (2R)-3-(2-methylpropoxy)but-3-en-2-amine is C=C(OCC(C)C)[C@@H](C)N.
What is the InChIKey of (2R)-3-(2-methylpropoxy)but-3-en-2-amine?
The InChIKey is XCROZGXLLVEZLP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)5-10-8(4)7(3)9/h6-7H,4-5,9H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-3-(2-methylpropoxy)but-3-en-2-amine?
(2R)-3-(2-methylpropoxy)but-3-en-2-amine has a molecular weight of 143.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-methylpropoxy)but-3-en-2-amine is sourced from PubChem (CID 130402785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).